2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene

C14H11BrF4O — CID 79660923

IUPAC2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(Br)C(F)(F)C(F)F)ccc2c1
InChIInChI=1S/C14H11BrF4O/c1-20-11-5-4-8-6-10(3-2-9(8)7-11)12(15)14(18,19)13(16)17/h2-7,12-13H,1H3
InChIKeyFHGXXWPEYXDDMJ-UHFFFAOYSA-N
MW351.14 g/mol
LogP5.18
Rot. Bonds4

About 2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene

2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene (PubChem CID 79660923) has the molecular formula C14H11BrF4O and a molecular weight of 351.14 g/mol. Its IUPAC name is 2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene.

Molecular Properties

Compound Name2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene
PubChem CID79660923
Molecular FormulaC14H11BrF4O
Molecular Weight351.14 g/mol
Exact Mass349.99
IUPAC Name2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(Br)C(F)(F)C(F)F)ccc2c1
InChIInChI=1S/C14H11BrF4O/c1-20-11-5-4-8-6-10(3-2-9(8)7-11)12(15)14(18,19)13(16)17/h2-7,12-13H,1H3
InChIKeyFHGXXWPEYXDDMJ-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.14
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-2-(6-methoxynaphthalen-2-yl)acetonitrile
CID 83085596
2-[bromo(phenyl)methyl]-6-methoxynaphthalene
CID 63444351
3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal
CID 10659512
(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218913
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride
CID 114827454
(1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 171312841
methoxy-(6-methoxynaphthalen-2-yl)methanamine
CID 116947369
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-4-methylthiophene
CID 79808743
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
CID 116863268
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene?
The IUPAC name of 2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene (CID 79660923) is 2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene.
What is the SMILES notation for 2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene?
The canonical SMILES for 2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene is COc1ccc2cc(C(Br)C(F)(F)C(F)F)ccc2c1.
What is the InChIKey of 2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene?
The InChIKey is FHGXXWPEYXDDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF4O/c1-20-11-5-4-8-6-10(3-2-9(8)7-11)12(15)14(18,19)13(16)17/h2-7,12-13H,1H3.
What are the key properties of 2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene?
2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene has a molecular weight of 351.14 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene is sourced from PubChem (CID 79660923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).